2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone

C15H19FO — CID 55096170

IUPAC2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CC2CCCCC2)ccc1F
InChIInChI=1S/C15H19FO/c1-11-9-13(7-8-14(11)16)15(17)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
InChIKeyMNCLJOUDFJIMIU-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.29
Rot. Bonds3

About 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone

2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 55096170) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID55096170
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CC2CCCCC2)ccc1F
InChIInChI=1S/C15H19FO/c1-11-9-13(7-8-14(11)16)15(17)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
InChIKeyMNCLJOUDFJIMIU-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967621
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114969279
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 115794245
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
2-cycloheptyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291304
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
CID 94285899
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone (CID 55096170) is 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)CC2CCCCC2)ccc1F.
What is the InChIKey of 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is MNCLJOUDFJIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-11-9-13(7-8-14(11)16)15(17)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3.
What are the key properties of 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone?
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 234.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 55096170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).